… Molecular docking of 35 into S. aureus tyrosyl-tRNA synthetase active site was also performed.
The inhibitor snugly fitting the active site may well explain its excellent inhibitory activity. …

… Based on this information, we carried out molecular docking studies to confirm the
binding manner as well as the inhibitory activity of the synthesized compounds toward TS. …

… in discovering novel small-molecule drugs 28,29,30,31,32 . In our study, Surflex-Dock was
used to perform the molecular docking. Tyrosyl-tRNA synthase’s crystal structure 3P0H which …

… through molecular docking against Staphylococcus aureus tyrosyl-tRNA synthetase. … the
establishment, in 10-tyrosyltRNA synthetase complex, of hydrogen bond interactions between …

… The current study commenced by computer-aided molecular docking of curcumin into the
binding pocket of GSK-3β in order to reach to preliminary conclusions about curcumin/GSK-3β …

… and scoring combination to detect active compounds early and also their ability to correctly
rank the active compounds according to their known inhibition constants. Table 4 shows the …

… Molecular docking and free energy calculations were carried out to examine the binding …
synthetase, respectively. Taxifolin was found out to be the top lead molecule in both the docking …

… characteristics for squalene synthase binding site recognition. Methods: In the present work,
we applied the molecular docking approach for 9 inhibitors of squalene synthase. Autodock …

… against tyrosyl-tRNA synthetase. Meanwhile, molecular docking of d40 into S. aureus
tyrosyl-tRNA synthetase active site was also performed, and the inhibitor tightly fitting the active …

… is to use molecular mechanics based methods, involving docking studies, molecular dynamics
… The best-fit complexed structures of the inhibitors docking into the EPSP synthase active …